Investigations of new N1-substituted pyrazoles as anti-inflammatory and analgesic agents having COX inhibitory activity
Background: The search is ongoing for ideal anti-inflammatory and analgesic agents with promising potency and reasonable selectivity. Methods: New N1-substituted pyrazoles with or without an acetamide linkage were synthesized and evaluated for their anti-inflammatory and analgesic activities. COX inhibitory testing, molecular docking, molecular dynamics simulation and antiproliferative activity assessments were performed. Results: All compounds exhibited anti-inflammatory activity up to 90.40% inhibition. They also exhibited good analgesic activity with up to 100% protection. N1-benzensulfonamides 3d, 6c and 6h were preferentially selective agents toward COX-2. Compound 3d showed good cytotoxicity against MCF-7 and HTC116 cancer cell lines. Molecular modeling studies predicted the binding pattern of the most active compounds. Molecular dynamics confirmed the docking results. All compounds showed remarkable pharmacokinetic properties.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:16 |
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| Enthalten in: |
Future medicinal chemistry - 16(2024), 4 vom: 15. Feb., Seite 349-368 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Said, Mona F [VerfasserIn] |
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| Links: |
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| Anmerkungen: |
Date Completed 07.02.2024 Date Revised 07.02.2024 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.4155/fmc-2023-0302 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM367788977 |
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| 100 | 1 | |a Said, Mona F |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Investigations of new N1-substituted pyrazoles as anti-inflammatory and analgesic agents having COX inhibitory activity |
| 264 | 1 | |c 2024 | |
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| 500 | |a Date Completed 07.02.2024 | ||
| 500 | |a Date Revised 07.02.2024 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a Background: The search is ongoing for ideal anti-inflammatory and analgesic agents with promising potency and reasonable selectivity. Methods: New N1-substituted pyrazoles with or without an acetamide linkage were synthesized and evaluated for their anti-inflammatory and analgesic activities. COX inhibitory testing, molecular docking, molecular dynamics simulation and antiproliferative activity assessments were performed. Results: All compounds exhibited anti-inflammatory activity up to 90.40% inhibition. They also exhibited good analgesic activity with up to 100% protection. N1-benzensulfonamides 3d, 6c and 6h were preferentially selective agents toward COX-2. Compound 3d showed good cytotoxicity against MCF-7 and HTC116 cancer cell lines. Molecular modeling studies predicted the binding pattern of the most active compounds. Molecular dynamics confirmed the docking results. All compounds showed remarkable pharmacokinetic properties | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a COX-inhibitor | |
| 650 | 4 | |a analgesic | |
| 650 | 4 | |a anti-inflammatory | |
| 650 | 4 | |a antitumor | |
| 650 | 4 | |a molecular dynamics | |
| 650 | 4 | |a substituted pyrazole | |
| 650 | 7 | |a Pyrazoles |2 NLM | |
| 650 | 7 | |a Anti-Inflammatory Agents |2 NLM | |
| 650 | 7 | |a Analgesics |2 NLM | |
| 650 | 7 | |a Cyclooxygenase 2 |2 NLM | |
| 650 | 7 | |a EC 1.14.99.1 |2 NLM | |
| 650 | 7 | |a Anti-Inflammatory Agents, Non-Steroidal |2 NLM | |
| 700 | 1 | |a George, Riham F |e verfasserin |4 aut | |
| 700 | 1 | |a Fayed, Walid |e verfasserin |4 aut | |
| 700 | 1 | |a F Soliman, Ahmed A |e verfasserin |4 aut | |
| 700 | 1 | |a Refaey, Rana H |e verfasserin |4 aut | |
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